SCHEMBL6936749

SCHEMBL6936749

CN(C)C(c1ccc(Br)cc1)C1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 4/20 0.37
OPRL1 P41146 4/20 0.37
SLC6A9 P48067 1/20 0.36
CCR5 P51681 1/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.32
SLC18A3 Q16572 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6936762 0.92 SLC6A9 (0.39) OPRM1OPRD1OPRK1OPRL1SLC6A9
Hydrochloric Acid SCHEMBL7741182 0.91 OPRL1 (0.39) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL6938861 0.89 GRIN2B (0.39) OPRL1SLC6A9
SCHEMBL6936962 0.89 SLC6A4 (0.40) OPRL1SLC6A9CCR5KDM1ARCOR1
SCHEMBL6939782 0.84 SLC6A4 (0.42) SLC6A9SLC6A2SLC6A4SLC6A3
SCHEMBL5163369 0.84 CCR5 (0.38) SLC6A9CCR5
SCHEMBL5846308 0.84 CCR5 (0.38) OPRM1OPRL1SLC6A9CCR5SLC6A2
SCHEMBL6934468 0.84 SLC6A3 (0.42) SLC6A9CCR5SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5847559 0.83 CCR5 (0.37) OPRM1OPRL1SLC6A9CCR5LMNA
SCHEMBL6937455 0.82 PSEN1 (0.37) OPRK1SLC6A9CCR5LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed